Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'fox' and Initial = 'aj'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50072775 (2-((1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohe...) Show SMILES CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)c(O)c1 |r| Show InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin S (Homo sapiens (Human))	BDBM50263609 (2-cyano-4-((1-(2-hydroxyethyl)piperidin-4-yl)metho...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CCO)CC1)C#N Show InChI InChI=1S/C25H38N6O3/c1-27-23(33)21-22(28-16-18-3-9-25(10-4-18)7-2-8-25)29-20(15-26)30-24(21)34-17-19-5-11-31(12-6-19)13-14-32/h18-19,32H,2-14,16-17H2,1H3,(H,27,33)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263557 (2-cyano-4-((1-isopropylpiperidin-4-yl)methoxy)-N-m...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CC1)C(C)C)C#N Show InChI InChI=1S/C26H40N6O2/c1-18(2)32-13-7-20(8-14-32)17-34-25-22(24(33)28-3)23(30-21(15-27)31-25)29-16-19-5-11-26(12-6-19)9-4-10-26/h18-20H,4-14,16-17H2,1-3H3,(H,28,33)(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263555 (2-cyano-N-methyl-4-((1-methylpiperidin-4-yl)methox...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C24H36N6O2/c1-26-22(31)20-21(27-15-17-4-10-24(11-5-17)8-3-9-24)28-19(14-25)29-23(20)32-16-18-6-12-30(2)13-7-18/h17-18H,3-13,15-16H2,1-2H3,(H,26,31)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263554 (2-cyano-N-methyl-4-(2-(1-methylpiperidin-4-yl)etho...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCC1CCN(C)CC1)C#N Show InChI InChI=1S/C25H38N6O2/c1-27-23(32)21-22(28-17-19-4-11-25(12-5-19)9-3-10-25)29-20(16-26)30-24(21)33-15-8-18-6-13-31(2)14-7-18/h18-19H,3-15,17H2,1-2H3,(H,27,32)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25138 (2-cyano-pyrropyrimidine, 7d | 7-(2-cyclopentylethy...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCC2)C#N)cc1 Show InChI InChI=1S/C27H32N6O2/c1-20(34)31-12-14-32(15-13-31)23-6-8-25(9-7-23)35-19-24-16-22-18-29-26(17-28)30-27(22)33(24)11-10-21-4-2-3-5-21/h6-9,16,18,21H,2-5,10-15,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263611 (2-cyano-N-methyl-4-(spiro[3.5]nonan-7-ylmethylamin...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OC1CC(C)(C)NC(C)(C)C1)C#N Show InChI InChI=1S/C26H40N6O2/c1-24(2)13-18(14-25(3,4)32-24)34-23-20(22(33)28-5)21(30-19(15-27)31-23)29-16-17-7-11-26(12-8-17)9-6-10-26/h17-18,32H,6-14,16H2,1-5H3,(H,28,33)(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263610 (2-cyano-N-methyl-4-(piperidin-4-ylmethoxy)-6-(spir...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCNCC1)C#N Show InChI InChI=1S/C23H34N6O2/c1-25-21(30)19-20(27-14-16-3-9-23(10-4-16)7-2-8-23)28-18(13-24)29-22(19)31-15-17-5-11-26-12-6-17/h16-17,26H,2-12,14-15H2,1H3,(H,25,30)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263667 (2-cyano-4-(2-hydroxyethoxy)-N-methyl-6-(spiro[3.5]...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCO)C#N Show InChI InChI=1S/C19H27N5O3/c1-21-17(26)15-16(23-14(11-20)24-18(15)27-10-9-25)22-12-13-3-7-19(8-4-13)5-2-6-19/h13,25H,2-10,12H2,1H3,(H,21,26)(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin S (Homo sapiens (Human))	BDBM25136 (2-cyano-pyrropyrimidine, 7b | 7-(2-cyclohexylethyl...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1F Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)26-8-7-24(16-25(26)29)37-19-23-15-22-18-31-27(17-30)32-28(22)35(23)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25134 (2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C28H34N6O2/c1-21(35)32-13-15-33(16-14-32)24-7-9-26(10-8-24)36-20-25-17-23-19-30-27(18-29)31-28(23)34(25)12-11-22-5-3-2-4-6-22/h7-10,17,19,22H,2-6,11-16,20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM25134 (2-cyano-pyrropyrimidine, 2 | 7-(2-cyclohexylethyl)...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C28H34N6O2/c1-21(35)32-13-15-33(16-14-32)24-7-9-26(10-8-24)36-20-25-17-23-19-30-27(18-29)31-28(23)34(25)12-11-22-5-3-2-4-6-22/h7-10,17,19,22H,2-6,11-16,20H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25141 (2-cyano-pyrropyrimidine, 7g | 7-[2-(4,4-difluorocy...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCC(F)(F)CC2)C#N)cc1 Show InChI InChI=1S/C28H32F2N6O2/c1-20(37)34-12-14-35(15-13-34)23-2-4-25(5-3-23)38-19-24-16-22-18-32-26(17-31)33-27(22)36(24)11-8-21-6-9-28(29,30)10-7-21/h2-5,16,18,21H,6-15,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263612 (4-((1-acetylpiperidin-4-yl)methoxy)-2-cyano-N-meth...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CC1)C(C)=O)C#N Show InChI InChI=1S/C25H36N6O3/c1-17(32)31-12-6-19(7-13-31)16-34-24-21(23(33)27-2)22(29-20(14-26)30-24)28-15-18-4-10-25(11-5-18)8-3-9-25/h18-19H,3-13,15-16H2,1-2H3,(H,27,33)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25137 (2-cyano-pyrropyrimidine, 7c | 7-(2-cyclohexylethyl...) Show SMILES CC(=O)N1CCCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C29H36N6O2/c1-22(36)33-13-5-14-34(17-16-33)25-8-10-27(11-9-25)37-21-26-18-24-20-31-28(19-30)32-29(24)35(26)15-12-23-6-3-2-4-7-23/h8-11,18,20,23H,2-7,12-17,21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263511 (2-cyano-N-methyl-4-((1-methylpiperidin-4-yl)methox...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCCC3)CC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C25H38N6O2/c1-27-23(32)21-22(28-16-18-5-11-25(12-6-18)9-3-4-10-25)29-20(15-26)30-24(21)33-17-19-7-13-31(2)14-8-19/h18-19H,3-14,16-17H2,1-2H3,(H,27,32)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM25135 (2-cyano-pyrropyrimidine, 7a | 7-(2-cyclohexylethyl...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c(F)c1 Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)23-7-8-26(25(29)16-23)37-19-24-15-22-18-31-27(17-30)32-28(22)35(24)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50218116 (CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...) Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25139 (2-cyano-pyrropyrimidine, 7e | 7-[2-(4-chlorophenyl...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCc2ccc(Cl)cc2)C#N)cc1 Show InChI InChI=1S/C28H27ClN6O2/c1-20(36)33-12-14-34(15-13-33)24-6-8-26(9-7-24)37-19-25-16-22-18-31-27(17-30)32-28(22)35(25)11-10-21-2-4-23(29)5-3-21/h2-9,16,18H,10-15,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25135 (2-cyano-pyrropyrimidine, 7a | 7-(2-cyclohexylethyl...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)c(F)c1 Show InChI InChI=1S/C28H33FN6O2/c1-20(36)33-11-13-34(14-12-33)23-7-8-26(25(29)16-23)37-19-24-15-22-18-31-27(17-30)32-28(22)35(24)10-9-21-5-3-2-4-6-21/h7-8,15-16,18,21H,2-6,9-14,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin S (Mus musculus (Mouse))	BDBM25141 (2-cyano-pyrropyrimidine, 7g | 7-[2-(4,4-difluorocy...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCC(F)(F)CC2)C#N)cc1 Show InChI InChI=1S/C28H32F2N6O2/c1-20(37)34-12-14-35(15-13-34)23-2-4-25(5-3-23)38-19-24-16-22-18-32-26(17-31)33-27(22)36(24)11-8-21-6-9-28(29,30)10-7-21/h2-5,16,18,21H,6-15,19H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50218116 (CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...) Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of rat CB1 receptor				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50218121 (CHEMBL390675 | naphthalen-1-yl-(4-pentylaminonapht...) Show SMILES CCCCCNc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H25NO/c1-2-3-8-18-27-25-17-16-24(21-13-6-7-14-22(21)25)26(28)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17,27H,2-3,8,18H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263556 (2-cyano-4-(2-cyclopentylethylamino)-N-methyl-6-((1...) Show SMILES CNC(=O)c1c(NCCC2CCCC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C21H32N6O2/c1-23-20(28)18-19(24-10-7-15-5-3-4-6-15)25-17(13-22)26-21(18)29-14-16-8-11-27(2)12-9-16/h15-16H,3-12,14H2,1-2H3,(H,23,28)(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50263510 (4-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)-2-cya...) Show SMILES CNC(=O)c1c(NCC2CCC3(CC2)OCCO3)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C23H34N6O4/c1-25-21(30)19-20(26-14-16-3-7-23(8-4-16)32-11-12-33-23)27-18(13-24)28-22(19)31-15-17-5-9-29(2)10-6-17/h16-17H,3-12,14-15H2,1-2H3,(H,25,30)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin S by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50218123 (CHEMBL244402 | naphthalen-1-yl-(4-butoxynaphthalen...) Show SMILES CCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C25H22O2/c1-2-3-17-27-24-16-15-23(20-12-6-7-13-21(20)24)25(26)22-14-8-10-18-9-4-5-11-19(18)22/h4-16H,2-3,17H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM25140 (2-cyano-pyrropyrimidine, 7f | 7-(2-cycloheptylethy...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCCC2)C#N)cc1 Show InChI InChI=1S/C29H36N6O2/c1-22(36)33-14-16-34(17-15-33)25-8-10-27(11-9-25)37-21-26-18-24-20-31-28(19-30)32-29(24)35(26)13-12-23-6-4-2-3-5-7-23/h8-11,18,20,23H,2-7,12-17,21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM25138 (2-cyano-pyrropyrimidine, 7d | 7-(2-cyclopentylethy...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCC2)C#N)cc1 Show InChI InChI=1S/C27H32N6O2/c1-20(34)31-12-14-32(15-13-31)23-6-8-25(9-7-23)35-19-24-16-22-18-29-26(17-28)30-27(22)33(24)11-10-21-4-2-3-5-21/h6-9,16,18,21H,2-5,10-15,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50218123 (CHEMBL244402 | naphthalen-1-yl-(4-butoxynaphthalen...) Show SMILES CCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C25H22O2/c1-2-3-17-27-24-16-15-23(20-12-6-7-13-21(20)24)25(26)22-14-8-10-18-9-4-5-11-19(18)22/h4-16H,2-3,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50218120 (CHEMBL243334 | naphthalen-1-yl-(4-propoxynaphthale...) Show SMILES CCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H20O2/c1-2-16-26-23-15-14-22(19-11-5-6-12-20(19)23)24(25)21-13-7-9-17-8-3-4-10-18(17)21/h3-15H,2,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50218116 (CHEMBL244403 | naphthalen-1-yl-(4-pentyloxynaphtha...) Show SMILES CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H24O2/c1-2-3-8-18-28-25-17-16-24(21-13-6-7-14-22(21)25)26(27)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17H,2-3,8,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50218121 (CHEMBL390675 | naphthalen-1-yl-(4-pentylaminonapht...) Show SMILES CCCCCNc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C26H25NO/c1-2-3-8-18-27-25-17-16-24(21-13-6-7-14-22(21)25)26(28)23-15-9-11-19-10-4-5-12-20(19)23/h4-7,9-17,27H,2-3,8,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50218119 ((4-hexyloxynaphthalen-1-yl)naphthalen-1-ylmethanon...) Show SMILES CCCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C27H26O2/c1-2-3-4-9-19-29-26-18-17-25(22-14-7-8-15-23(22)26)27(28)24-16-10-12-20-11-5-6-13-21(20)24/h5-8,10-18H,2-4,9,19H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263511 (2-cyano-N-methyl-4-((1-methylpiperidin-4-yl)methox...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCCC3)CC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C25H38N6O2/c1-27-23(32)21-22(28-16-18-5-11-25(12-6-18)9-3-4-10-25)29-20(15-26)30-24(21)33-17-19-7-13-31(2)14-8-19/h18-19H,3-14,16-17H2,1-2H3,(H,27,32)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	276	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin L by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM25137 (2-cyano-pyrropyrimidine, 7c | 7-(2-cyclohexylethyl...) Show SMILES CC(=O)N1CCCN(CC1)c1ccc(OCc2cc3cnc(nc3n2CCC2CCCCC2)C#N)cc1 Show InChI InChI=1S/C29H36N6O2/c1-22(36)33-13-5-14-34(17-16-33)25-8-10-27(11-9-25)37-21-26-18-24-20-31-28(19-30)32-29(24)35(26)15-12-23-6-3-2-4-7-23/h8-11,18,20,23H,2-7,12-17,21H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	7.0	22
Novartis					Assay Description The substrate hydrolysis with or without inhibitor was monitored at an excitation wavelength of 360nm and an emission wavelength of 460 nm on a fluor...				J Med Chem 51: 5502-5 (2008) Article DOI: 10.1021/jm800839j BindingDB Entry DOI: 10.7270/Q2125QZR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263609 (2-cyano-4-((1-(2-hydroxyethyl)piperidin-4-yl)metho...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CCO)CC1)C#N Show InChI InChI=1S/C25H38N6O3/c1-27-23(33)21-22(28-16-18-3-9-25(10-4-18)7-2-8-25)29-20(15-26)30-24(21)34-17-19-5-11-31(12-6-19)13-14-32/h18-19,32H,2-14,16-17H2,1H3,(H,27,33)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin L by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50218120 (CHEMBL243334 | naphthalen-1-yl-(4-propoxynaphthale...) Show SMILES CCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C24H20O2/c1-2-16-26-23-15-14-22(19-11-5-6-12-20(19)23)24(25)21-13-7-9-17-8-3-4-10-18(17)21/h3-15H,2,16H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263557 (2-cyano-4-((1-isopropylpiperidin-4-yl)methoxy)-N-m...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CC1)C(C)C)C#N Show InChI InChI=1S/C26H40N6O2/c1-18(2)32-13-7-20(8-14-32)17-34-25-22(24(33)28-3)23(30-21(15-27)31-25)29-16-19-5-11-26(12-6-19)9-4-10-26/h18-20H,4-14,16-17H2,1-3H3,(H,28,33)(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin L by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50263556 (2-cyano-4-(2-cyclopentylethylamino)-N-methyl-6-((1...) Show SMILES CNC(=O)c1c(NCCC2CCCC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C21H32N6O2/c1-23-20(28)18-19(24-10-7-15-5-3-4-6-15)25-17(13-22)26-21(18)29-14-16-8-11-27(2)12-9-16/h15-16H,3-12,14H2,1-2H3,(H,23,28)(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG in HEK293 cells				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263555 (2-cyano-N-methyl-4-((1-methylpiperidin-4-yl)methox...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C24H36N6O2/c1-26-22(31)20-21(27-15-17-4-10-24(11-5-17)8-3-9-24)28-19(14-25)29-23(20)32-16-18-6-12-30(2)13-7-18/h17-18H,3-13,15-16H2,1-2H3,(H,26,31)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin L by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263556 (2-cyano-4-(2-cyclopentylethylamino)-N-methyl-6-((1...) Show SMILES CNC(=O)c1c(NCCC2CCCC2)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C21H32N6O2/c1-23-20(28)18-19(24-10-7-15-5-3-4-6-15)25-17(13-22)26-21(18)29-14-16-8-11-27(2)12-9-16/h15-16H,3-12,14H2,1-2H3,(H,23,28)(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin L by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50263554 (2-cyano-N-methyl-4-(2-(1-methylpiperidin-4-yl)etho...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCC1CCN(C)CC1)C#N Show InChI InChI=1S/C25H38N6O2/c1-27-23(32)21-22(28-17-19-4-11-25(12-5-19)9-3-10-25)29-20(16-26)30-24(21)33-15-8-18-6-13-31(2)14-7-18/h18-19H,3-15,17H2,1-2H3,(H,27,32)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG in HEK293 cells				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263510 (4-(1,4-dioxaspiro[4.5]decan-8-ylmethylamino)-2-cya...) Show SMILES CNC(=O)c1c(NCC2CCC3(CC2)OCCO3)nc(nc1OCC1CCN(C)CC1)C#N Show InChI InChI=1S/C23H34N6O4/c1-25-21(30)19-20(26-14-16-3-7-23(8-4-16)32-11-12-33-23)27-18(13-24)28-22(19)31-15-17-5-9-29(2)10-6-17/h16-17H,3-12,14-15H2,1-2H3,(H,25,30)(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	426	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin L by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263554 (2-cyano-N-methyl-4-(2-(1-methylpiperidin-4-yl)etho...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCCC1CCN(C)CC1)C#N Show InChI InChI=1S/C25H38N6O2/c1-27-23(32)21-22(28-17-19-4-11-25(12-5-19)9-3-10-25)29-20(16-26)30-24(21)33-15-8-18-6-13-31(2)14-7-18/h18-19H,3-15,17H2,1-2H3,(H,27,32)(H,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin L by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263610 (2-cyano-N-methyl-4-(piperidin-4-ylmethoxy)-6-(spir...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCNCC1)C#N Show InChI InChI=1S/C23H34N6O2/c1-25-21(30)19-20(27-14-16-3-9-23(10-4-16)7-2-8-23)28-18(13-24)29-22(19)31-15-17-5-11-26-12-6-17/h16-17,26H,2-12,14-15H2,1H3,(H,25,30)(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin L by fluorometric assay				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50263557 (2-cyano-4-((1-isopropylpiperidin-4-yl)methoxy)-N-m...) Show SMILES CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(nc1OCC1CCN(CC1)C(C)C)C#N Show InChI InChI=1S/C26H40N6O2/c1-18(2)32-13-7-20(8-14-32)17-34-25-22(24(33)28-3)23(30-21(15-27)31-25)29-16-19-5-11-26(12-6-19)9-4-10-26/h18-20H,4-14,16-17H2,1-3H3,(H,28,33)(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from human ERG in HEK293 cells				Bioorg Med Chem Lett 18: 5280-4 (2008) Article DOI: 10.1016/j.bmcl.2008.08.067 BindingDB Entry DOI: 10.7270/Q2736QQ6
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50218119 ((4-hexyloxynaphthalen-1-yl)naphthalen-1-ylmethanon...) Show SMILES CCCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12 Show InChI InChI=1S/C27H26O2/c1-2-3-4-9-19-29-26-18-17-25(22-14-7-8-15-23(22)26)27(28)24-16-10-12-20-11-5-6-13-21(20)24/h5-8,10-18H,2-4,9,19H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]CP-55940 human CB2 receptor expressed in CHOK1 cells				J Med Chem 50: 3851-6 (2007) Article DOI: 10.1021/jm070317a BindingDB Entry DOI: 10.7270/Q2K64JWR
					More data for this Ligand-Target Pair

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